anti-bacterial agent 26 is a potent antibacterial compound.

Physicochemical Properties

Molecular Formula	C19H17N5O2
Molecular Weight	347.370583295822
Exact Mass	347.138
CAS #	75369-40-3
PubChem CID	141502910
Appearance	White to off-white solid powder
LogP	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	26
Complexity	510
Defined Atom Stereocenter Count	0
SMILES	O(C)C(C1C=CC(=CC=1)CN1C=CC2C3=C(N)N=C(N)N=C3C=CC1=2)=O
InChi Key	BHSTYBXRXPZJCW-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H17N5O2/c1-26-18(25)12-4-2-11(3-5-12)10-24-9-8-13-15(24)7-6-14-16(13)17(20)23-19(21)22-14/h2-9H,10H2,1H3,(H4,20,21,22,23)
Chemical Name	methyl 4-[(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)methyl]benzoate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Solubility Data

Solubility (In Vitro)

DMSO : ~83.33 mg/mL (~239.89 mM )

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.99 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.99 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.8788 mL	14.3939 mL	28.7877 mL
	5 mM	0.5758 mL	2.8788 mL	5.7575 mL
	10 mM	0.2879 mL	1.4394 mL	2.8788 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.